Spektraris NMR
Blazeispirol U
Common Name: Blazeispirol U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O4/c1-16-20-11-14-27(32-28(16)23(30)17(2)24(3,4)31-28)22-8-7-18-15-19(29)9-12-25(18,5)21(22)10-13-26(20,27)6/h7-8,10,13,15-17,20,23,30H,9,11-12,14H2,1-6H3/t16-,17-,20+,23+,25-,26+,27-,28-/m0/s1
InChIKey: InChIKey=YOKQBCLMOKKBED-AJZAVILDSA-N
Formula: C28H36O4
Molecular Weight: 436.584092
Exact Mass: 436.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hirotani M., Sai K., Nagai R., Hirotani S., Takayanagi H., Yoshikawa T. Phytochemistry (2002) 61, 589-95
Species:
Notes: Family : Steroids, Type : Ergostanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 32.6 |
| 2 (CH2) | 33.8 |
| 3 (C) | 198 |
| 4 (CH) | 124.1 |
| 5 (C) | 165.9 |
| 6 (CH) | 125.1 |
| 7 (CH) | 129.8 |
| 8 (C) | 131 |
| 9 (C) | 138.2 |
| 10 (C) | 38.7 |
| 11 (CH) | 120.5 |
| 12 (CH) | 142.4 |
| 13 (C) | 48.3 |
| 14 (C) | 82.6 |
| 15 (CH2) | 36.8 |
| 16 (CH2) | 25.4 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 15 |
| 19 (CH3) | 27.8 |
| 20 (CH) | 33.5 |
| 21 (CH3) | 16.3 |
| 22 (C) | 107.5 |
| 23 (CH) | 84.7 |
| 24 (CH) | 44.1 |
| 25 (C) | 84.3 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 30.5 |
| 28 (CH3) | 8.6 |
